[(1R,3S,4S)-4-ethenyl-2,2,4-trimethyl-3-prop-1-en-2-ylcyclohexyl]methanol
PubChem CID: 163043410
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 290.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | [(1R,3S,4S)-4-ethenyl-2,2,4-trimethyl-3-prop-1-en-2-ylcyclohexyl]methanol |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 1.0 |
| Inchi Key | OUHIEGFKRWELJI-KCQAQPDRSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -3.83 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.838 |
| Compound Name | [(1R,3S,4S)-4-ethenyl-2,2,4-trimethyl-3-prop-1-en-2-ylcyclohexyl]methanol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9376063999999995 |
| Inchi | InChI=1S/C15H26O/c1-7-15(6)9-8-12(10-16)14(4,5)13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13-,15+/m0/s1 |
| Smiles | CC(=C)[C@@H]1[C@](CC[C@H](C1(C)C)CO)(C)C=C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients